![Octanoic acid, 2-[(trifluoroacetyl)amino]-, butyl ester](/api/spectrum/YeDGRrxBLa/structure.png?h=300&w=458 "Octanoic acid, 2-[(trifluoroacetyl)amino]-, butyl ester")
| SpectraBase Compound ID | HG75ekmJTgF |
|---|---|
| InChI | InChI=1S/C14H24F3NO3/c1-3-5-7-8-9-11(12(19)21-10-6-4-2)18-13(20)14(15,16)17/h11H,3-10H2,1-2H3,(H,18,20) |
| InChIKey | KSZMRHQNONVVJZ-UHFFFAOYSA-N |
| Mol Weight | 311.35 g/mol |
| Molecular Formula | C14H24F3NO3 |
| Exact Mass | 311.170828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | YeDGRrxBLa |
|---|---|
| Name | Octanoic acid, 2-[(trifluoroacetyl)amino]-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.170828123 u |
| Formula | C14H24F3NO3 |
| InChI | InChI=1S/C14H24F3NO3/c1-3-5-7-8-9-11(12(19)21-10-6-4-2)18-13(20)14(15,16)17/h11H,3-10H2,1-2H3,(H,18,20) |
| InChIKey | KSZMRHQNONVVJZ-UHFFFAOYSA-N |
| Molecular Weight | 311.345 g/mol |
| SMILES | C(NC(C(F)(F)F)=O)(C(OCCCC)=O)CCCCCC |